4-Amino-3-chlorophenol

C₆H₆ClNOCAS 17609-80-2143.57 g/mol

Open in Covalent MOL file

Aryl halide Phenol Primary amine

Properties

Molecular formula: C₆H₆ClNO
Molar mass: 143.57 g/mol
Exact mass: 143.0138 Da
Melting point: 159.5 °C
logP: 1.63Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation40% of notifiers
H332 Harmful if inhaled80% of notifiers
H335 May cause respiratory irritation20% of notifiers
H360 May damage fertility or the unborn child60% of notifiers
H400 Very toxic to aquatic life60% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

17609-80-2

SMILES

Nc1ccc(O)cc1Cl

InChIKey

PNLPXABQLXSICH-UHFFFAOYSA-N

InChI

InChI=1S/C6H6ClNO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Phenol, 4-amino-3-chloro-
1-Hydroxy-4-amino-3-chlorobenzene
3-Chloro-4-aminophenol
3-Chloro-p-aminophenol
2-Chloro-4-hydroxyaniline

Work with 4-Amino-3-chlorophenol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Amino-3-chlorophenol hydrochloride52671-64-4Salt

Similar compounds

3,4-Dichlorophenol95-77-260 % similar 3,3′-Dichlorobenzidine91-94-158 % similar 4-Bromo-2-chloroaniline38762-41-357 % similar 2,4-Dichloroaniline554-00-756 % similar 2-Chloro-p-phenylenediamine615-66-756 % similar Chlorohydroquinone615-67-856 % similar 2-Chloro-4-methylaniline615-65-654 % similar 4,4′-Methylenebis[2-chloroaniline]101-14-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2-Chloropyridin-4-yl)methanol100704-10-7 3-Chloro-2-methoxypyridine13472-84-9 5-Chloro-2-methoxypyridine13473-01-3 2-Chloro-5-methoxypyridine139585-48-1 3-Amino-4-chlorophenol16026-77-0 2-Chloro-6-methoxypyridine17228-64-7 2-Chloro-4-methoxypyridine17228-69-2 (6-Chloropyridin-3-yl)methanol21543-49-7

Elsewhere

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